FL7AAAGL0051

Flavonoid Top

Molecule Index

Author Index

Journals

Structure Search

Food

New Input

Upper classes : FL Flavonoid : FL7 Anthocyani(di)n : FL7A Anthocyani(di)n :  FL7AAA Pelargonidin (96 pages) :  FL7AAAGL Anthocyanin (3-Glucoside related) (75 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	140635-53-6
KEGG	{{{KEGG}}}
KNApSAcK	C00011088
CDX file
MOL file	FL7AAAGL0051.mol

Pelargonidin 3-O- [ 2-O- (6-O- (trans-3-O- (beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranosyl) -6-O- (trans-caffeyl) -beta-D-glucopyranoside ] -5-O- [ beta-D-glucopyranoside ]
Structural Information
Systematic Name	3,5,7,4'-Tetrahydroxyflavylium 3-O- [ 2-O- (6-O- (trans-3-O- (beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranosyl) -6-O- (trans-caffeyl) -beta-D-glucopyranoside ] -5-O- [ beta-D-glucopyranoside ]
Common Name	Pelargonidin 3-O- [ 2-O- (6-O- (trans-3-O- (beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranosyl) -6-O- (trans-caffeyl) -beta-D-glucopyranoside ] -5-O- [ beta-D-glucopyranoside ] 3,5,7,4'-Tetrahydroxyflavylium 3-O- [ 2-O- (6-O- (trans-3-O- (beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranosyl) -6-O- (trans-caffeyl) -beta-D-glucopyranoside ] -5-O- [ beta-D-glucopyranoside ]
Symbol
Formula	C57H63O31
Exact Mass	1243.335330298
Average Mass	1244.09152
SMILES	C(C(Oc(c9)c([o+1]c(c97)cc(cc7OC(C8O)OC(CO)C(O)C8O)O)c(c6)ccc(O)c6)1)(OC(O3)C(C(O)C(C3COC(=O)C=Cc(c4)cc(OC(C5O)OC(C(C5O)O)CO)c(O)c4)O)O)C(C(O)C(COC(=O)C=Cc(c2)cc(O)c(O)c2)O1)O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Ipomoea nil FL7AAAGL0051 See above. Lu_TS et al. 1992 Ipomoea purpurea FL7AAAGL0051 See above. Saito_N et al. 1996